dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane

C26H37O2P — CID 66579920

IUPACdicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane
SMILESCOC1=CC=CC(OC)(P(C2CCCCC2)C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C26H37O2P/c1-27-24-19-12-20-26(28-2,25(24)21-13-6-3-7-14-21)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3,6-7,12-14,19-20,22-23,25H,4-5,8-11,15-18H2,1-2H3
InChIKeyUVXRLOOSLZREKQ-UHFFFAOYSA-N
MW412.55 g/mol
LogP7.36
Rot. Bonds6

About dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane

dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane (PubChem CID 66579920) has the molecular formula C26H37O2P and a molecular weight of 412.55 g/mol. Its IUPAC name is dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane
PubChem CID66579920
Molecular FormulaC26H37O2P
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC Namedicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane
SMILESCOC1=CC=CC(OC)(P(C2CCCCC2)C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C26H37O2P/c1-27-24-19-12-20-26(28-2,25(24)21-13-6-3-7-14-21)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3,6-7,12-14,19-20,22-23,25H,4-5,8-11,15-18H2,1-2H3
InChIKeyUVXRLOOSLZREKQ-UHFFFAOYSA-N
XLogP7.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.55
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine
CID 66746742
dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride
CID 175706079
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
6-dicyclohexylphosphanyl-4,6-dimethoxy-5-phenylcyclohexa-2,4-diene-1-sulfonic acid;hydrate
CID 175212957
cyclononyl(diphenyl)phosphane
CID 70908257
CID 159076923
CID 159076923
(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 157365293
tert-butylbenzene;cyclohexylbenzene
CID 158089404
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
(1-methoxy-2-phenylcyclohexyl)methanamine
CID 105403899
cyclohexyl-dimethoxy-phenylsilane
CID 54389963
CID 164898393
CID 164898393

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane?
The IUPAC name of dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane (CID 66579920) is dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane?
The canonical SMILES for dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane is COC1=CC=CC(OC)(P(C2CCCCC2)C2CCCCC2)C1c1ccccc1.
What is the InChIKey of dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane?
The InChIKey is UVXRLOOSLZREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37O2P/c1-27-24-19-12-20-26(28-2,25(24)21-13-6-3-7-14-21)29(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3,6-7,12-14,19-20,22-23,25H,4-5,8-11,15-18H2,1-2H3.
What are the key properties of dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane?
dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane has a molecular weight of 412.55 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(1,5-dimethoxy-6-phenylcyclohexa-2,4-dien-1-yl)phosphane is sourced from PubChem (CID 66579920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).